SCHEMBL2025569

SCHEMBL2025569

Cc1ccccc1C(C)C(C=O)Sc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ACP3 P15309 1/20 0.35
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
MME P08473 1/20 0.30
KDM4E B2RXH2 2/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL809548 0.77 LMNA (0.37) ALDH1A1L3MBTL1SMN1; SMN2LMNAKDM4E
SCHEMBL9401364 0.74 CTSA (0.41) ESR1
SCHEMBL28292778 0.73 ESR1 (0.43) ESR1ACP3ALDH1A1TSHRL3MBTL1
SCHEMBL28378508 0.70 ESR1 (0.41) ESR1ACP3ALDH1A1TSHRMME
SCHEMBL6546306 0.70 ESR1 (0.56) ESR1ACP3ALDH1A1TSHRADRA2A
SCHEMBL2550047 0.69 ESR1 (0.46) ESR1ACP3ALDH1A1TSHRADRA2A
SCHEMBL9165865 0.69 ESR1 (0.46) ESR1ACP3ALDH1A1TSHRADRA2A
SCHEMBL809567 0.69 LMNA (0.39) ALDH1A1L3MBTL1SMN1; SMN2LMNAKDM4E
SCHEMBL15141737 0.68 ALDH1A1 (0.41) ACP3ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL28405616 0.67 ESR1 (0.41) ESR1ACP3ALDH1A1TSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331589-A1 CATALYSTS FOR POLYMERIZING OLEFINS AND METHOD THEREOF Basell Poliolefine Italia S.R.L. (IT) 2011-06-15 EP disclosed
WO-2010026184-A1 CATALYSTS FOR POLYMERIZING OLEFINS AND METHOD THEREOF BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2010-03-11 WO disclosed